1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene

C22H24F4O2 — CID 118967041

IUPAC1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(Oc2ccc(C3CCC(CC(C)(F)F)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H24F4O2/c1-22(25,26)13-14-3-5-15(6-4-14)16-7-9-17(10-8-16)28-19-12-11-18(27-2)20(23)21(19)24/h7-12,14-15H,3-6,13H2,1-2H3
InChIKeyVMTQVYCSGNRKNP-UHFFFAOYSA-N
MW396.42 g/mol
LogP7.08
Rot. Bonds6

About 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene

1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene (PubChem CID 118967041) has the molecular formula C22H24F4O2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene
PubChem CID118967041
Molecular FormulaC22H24F4O2
Molecular Weight396.42 g/mol
Exact Mass396.17
IUPAC Name1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(Oc2ccc(C3CCC(CC(C)(F)F)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H24F4O2/c1-22(25,26)13-14-3-5-15(6-4-14)16-7-9-17(10-8-16)28-19-12-11-18(27-2)20(23)21(19)24/h7-12,14-15H,3-6,13H2,1-2H3
InChIKeyVMTQVYCSGNRKNP-UHFFFAOYSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118966982
difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 123965488
1-[difluoro-[4-[4-[(E)-pent-2-enyl]cyclohexyl]phenoxy]methyl]-2,3-difluoro-4-methoxybenzene
CID 20576251
1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118967004
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-2,3-difluoro-4-methoxybenzene
CID 67865390
1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19746989
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene (CID 118967041) is 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene is COc1ccc(Oc2ccc(C3CCC(CC(C)(F)F)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene?
The InChIKey is VMTQVYCSGNRKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O2/c1-22(25,26)13-14-3-5-15(6-4-14)16-7-9-17(10-8-16)28-19-12-11-18(27-2)20(23)21(19)24/h7-12,14-15H,3-6,13H2,1-2H3.
What are the key properties of 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene?
1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene has a molecular weight of 396.42 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2-difluoropropyl)cyclohexyl]phenoxy]-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 118967041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).